SCHEMBL6541558

SCHEMBL6541558

O=C(CN(Cc1ccccc1)C[C@@H]1CCCN1C(=O)O)C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ AGER Q15109 2/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ DAGLA Q9Y4D2 2/20 0.36
▸ ABHD6 Q9BV23 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6539808 0.76 OPRD1 (0.53) AGTR2
SCHEMBL20535219 0.76 KDM4E (0.50) ALDH1A1
SCHEMBL20535908 0.74 LMNA (0.41) AGTR2DAGLA
SCHEMBL6342999 0.74 KMT2A (0.40) ALDH1A1
SCHEMBL7204176 0.73 ALDH1A1 (0.44) ALDH1A1AGTR2
SCHEMBL6341433 0.73 ALDH1A1 (0.44) ALDH1A1AGTR2
SCHEMBL28472037 0.73 KDM4E (0.49) ALDH1A1HCRTR1HCRTR2DAGLA
SCHEMBL6540557 0.70 AGTR2 (0.41) AGTR2
SCHEMBL6540824 0.69 AGTR2 (0.43) ALDH1A1AGTR2
SCHEMBL6541032 0.67 AGTR2 (0.36) AGTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 — — US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 — — US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 — — EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 ALDH1A1 2029/4885TDP1 3965/4885AGER 1584/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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